Geometry & MOs

Info

ID:

100128

PubChem CID:

50058626

Reduced:

ClF4O4N5C34H36 (1)

Stoich.:

AB4C4D5E34F36 (1)

Weight, g/mol:

778.385412

ΔHf, kcal/mol:

-348.25

Dipole, Da:

4.54

IP(EA), eV:

 -8.98(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations